| CAS Number | 1251844-44-6 |
| Catalog Number | AG000NB2(AGN-PC-0WCYA5) |
| Chemical Name | 4-Pyridinecarboxylic acid, 2-(difluoromethyl)-, methyl ester |
| IUPAC Name | methyl 2-(difluoromethyl)pyridine-4-carboxylate |
| InChI | InChI=1S/C8H7F2NO2/c1-13-8(12)5-2-3-11-6(4-5)7(9)10/h2-4,7H,1H3 |
| InChI Key | FDVNQZVPNUJODO-UHFFFAOYSA-N |
| MDL Number | MFCD22690248 |
| Molecular Formula | C8H7F2NO2 |
| Molecular Weight | 187.1435 |
| SMILES | O=C(OC)C1=CC=NC(C(F)F)=C1 |
| Synonyms | METHYL 2-(DIFLUOROMETHYL)ISONICOTINATE,
1251844-44-6,
methyl 2-(difluoromethyl)pyridine-4-carboxylate,
4-Pyridinecarboxylic acid, 2-(difluoromethyl)-, methyl ester,
SCHEMBL580680,
DTXSID90732328,
FDVNQZVPNUJODO-UHFFFAOYSA-N,
ZX-AP000531,
MFCD22690248,
ZINC91252443,
AKOS023601033,
FCH2309305,
PC51205,
AK204631,
AS-38994,
AB0078931,
methyl 2-(difluoromethyl)pyridine-4-carboxylate, 95% - 1G 1g,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.146g/mol |
| Monoisotopic Mass | 187.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number